#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/08/2024

data_5yOhtAoR
_audit_creation_date            2024-11-08
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    "Cr5 Te8"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "ACTA METALLURGICA SINICA"
_citation_journal_volume        60
_citation_page_first            1151
_citation_page_last             1154
_citation_article_id            .
_citation_year                  2024
_citation_DOI                  10.11900/0412.1961.2024.00008

loop_
_citation_author_name
"W. Ren"
"M. An"
"F. Gao"
"X. Luo"
"B. Li"
"Z. Zhang"
"C.-W. Wang"

_temperature_position_structure         293
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  135013
_atomic_positions_source_other               .

_transition_temperature     235
_experiment_temperature     3.3

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGm2+ 1 1 . primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure not given. Here a room temperature model retrieved from ICSD is used.
Ferromagnet. FM along c
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep
;

_parent_space_group.name_H-M_alt  'P -3 m 1'
_parent_space_group.IT_number                       164
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 0]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'


_space_group_magn.number_BNS  164.89
_space_group_magn.name_BNS  "P -3 m' 1"
_space_group_magn.point_group_name  "-3m'"
_space_group_magn.point_group_number  "20.5.75"
_cell_length_a                 3.89720
_cell_length_b                 3.89720
_cell_length_c                 5.99650
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 -y,x-y,z,+1 
3 -x+y,-x,z,+1 
4 -x,-y,-z,+1 
5 y,-x+y,-z,+1 
6 x-y,x,-z,+1 
7 x-y,-y,-z,-1 
8 y,x,-z,-1 
9 -x,-x+y,-z,-1 
10 -x+y,y,z,-1 
11 -y,-x,z,-1 
12 x,x-y,z,-1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Te1 Te 0.33333 0.66667 0.75327 1.
Cr1 Cr 0.00000 0.00000 0.00000 0.25
Cr2 Cr 0.00000 0.00000 0.50000 1.

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
_atom_site_moment.magnitude
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
Cr1 0.0 0.0 2.0 0,0,mz 2.0 ? ?
Cr2 0.0 0.0 2.0 0,0,mz 2.0  ? ?

